5-amino-N,N-bis(oxolan-2-ylmethyl)hexanamide

C16H30N2O3 — CID 82850780

IUPAC5-amino-N,N-bis(oxolan-2-ylmethyl)hexanamide
SMILESCC(N)CCCC(=O)N(CC1CCCO1)CC1CCCO1
InChIInChI=1S/C16H30N2O3/c1-13(17)5-2-8-16(19)18(11-14-6-3-9-20-14)12-15-7-4-10-21-15/h13-15H,2-12,17H2,1H3
InChIKeyHIOMDUFYCHTQJK-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.69
Rot. Bonds8

About 5-amino-N,N-bis(oxolan-2-ylmethyl)hexanamide

5-amino-N,N-bis(oxolan-2-ylmethyl)hexanamide (PubChem CID 82850780) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 5-amino-N,N-bis(oxolan-2-ylmethyl)hexanamide.

Molecular Properties

Compound Name5-amino-N,N-bis(oxolan-2-ylmethyl)hexanamide
PubChem CID82850780
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name5-amino-N,N-bis(oxolan-2-ylmethyl)hexanamide
SMILESCC(N)CCCC(=O)N(CC1CCCO1)CC1CCCO1
InChIInChI=1S/C16H30N2O3/c1-13(17)5-2-8-16(19)18(11-14-6-3-9-20-14)12-15-7-4-10-21-15/h13-15H,2-12,17H2,1H3
InChIKeyHIOMDUFYCHTQJK-UHFFFAOYSA-N
XLogP1.69
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N,N-bis(oxolan-2-ylmethyl)butanamide
CID 54873321
4-amino-N-benzyl-N-(oxolan-2-ylmethyl)pentanamide
CID 120561181
4-amino-N-cyclopentyl-N-(oxolan-2-ylmethyl)pentanamide;hydrochloride
CID 120563456
(2S)-2-amino-N,N-bis(oxolan-2-ylmethyl)hexanamide
CID 103831500
4-amino-2-methyl-N,N-bis(oxolan-2-ylmethyl)butanamide
CID 80543187
3-amino-N-(oxan-2-ylmethyl)-N-propylbutanamide
CID 119777186
N-ethyl-N-(oxolan-2-ylmethyl)-3-sulfanylpropanamide
CID 107024574
(2S,3S)-2-amino-N-ethyl-3-methyl-N-(oxolan-2-ylmethyl)pentanamide
CID 61435057
3-amino-N-(oxan-2-ylmethyl)-N-propylbutanamide;hydrochloride
CID 119777185
N-(3-amino-3-sulfanylidenepropyl)-3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 82103958
(2R)-4-[(2R)-oxolan-2-yl]butan-2-amine
CID 7380763
3-[acetyl(oxolan-2-ylmethyl)amino]-N,N-diethylpropanamide
CID 113117319

Frequently Asked Questions

What is the IUPAC name of 5-amino-N,N-bis(oxolan-2-ylmethyl)hexanamide?
The IUPAC name of 5-amino-N,N-bis(oxolan-2-ylmethyl)hexanamide (CID 82850780) is 5-amino-N,N-bis(oxolan-2-ylmethyl)hexanamide.
What is the SMILES notation for 5-amino-N,N-bis(oxolan-2-ylmethyl)hexanamide?
The canonical SMILES for 5-amino-N,N-bis(oxolan-2-ylmethyl)hexanamide is CC(N)CCCC(=O)N(CC1CCCO1)CC1CCCO1.
What is the InChIKey of 5-amino-N,N-bis(oxolan-2-ylmethyl)hexanamide?
The InChIKey is HIOMDUFYCHTQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-13(17)5-2-8-16(19)18(11-14-6-3-9-20-14)12-15-7-4-10-21-15/h13-15H,2-12,17H2,1H3.
What are the key properties of 5-amino-N,N-bis(oxolan-2-ylmethyl)hexanamide?
5-amino-N,N-bis(oxolan-2-ylmethyl)hexanamide has a molecular weight of 298.43 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N,N-bis(oxolan-2-ylmethyl)hexanamide is sourced from PubChem (CID 82850780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).